1-N-ethyl-4-N-[4-[4-(ethylamino)anilino]butyl]benzene-1,4-diamine

C20H30N4 — CID 18622915

IUPAC1-N-ethyl-4-N-[4-[4-(ethylamino)anilino]butyl]benzene-1,4-diamine
SMILESCCNc1ccc(NCCCCNc2ccc(NCC)cc2)cc1
InChIInChI=1S/C20H30N4/c1-3-21-17-7-11-19(12-8-17)23-15-5-6-16-24-20-13-9-18(10-14-20)22-4-2/h7-14,21-24H,3-6,15-16H2,1-2H3
InChIKeyIYCLYQCIVFUNNA-UHFFFAOYSA-N
MW326.49 g/mol
LogP4.85
Rot. Bonds11

About 1-N-ethyl-4-N-[4-[4-(ethylamino)anilino]butyl]benzene-1,4-diamine

1-N-ethyl-4-N-[4-[4-(ethylamino)anilino]butyl]benzene-1,4-diamine (PubChem CID 18622915) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is 1-N-ethyl-4-N-[4-[4-(ethylamino)anilino]butyl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-ethyl-4-N-[4-[4-(ethylamino)anilino]butyl]benzene-1,4-diamine
PubChem CID18622915
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC Name1-N-ethyl-4-N-[4-[4-(ethylamino)anilino]butyl]benzene-1,4-diamine
SMILESCCNc1ccc(NCCCCNc2ccc(NCC)cc2)cc1
InChIInChI=1S/C20H30N4/c1-3-21-17-7-11-19(12-8-17)23-15-5-6-16-24-20-13-9-18(10-14-20)22-4-2/h7-14,21-24H,3-6,15-16H2,1-2H3
InChIKeyIYCLYQCIVFUNNA-UHFFFAOYSA-N
XLogP4.85
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 54.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-[3-[4-(ethylamino)anilino]propyl]benzene-1,4-diamine
CID 163689454
4-methyl-N-octylaniline
CID 11816856
4-fluoro-N-heptylaniline
CID 43129312
N,4-diethylaniline
CID 6429431
1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
CID 83962401
6-(4-propylanilino)hexan-1-ol
CID 103868001
N-nonadecylaniline
CID 54509054
N-decyl-4-(trifluoromethyl)aniline
CID 63488784
4-(chloromethyl)-N-hexylaniline
CID 65025803
4-ethyl-N-(3-fluoropropyl)aniline
CID 81106557
N-heptylaniline;hydrate
CID 174886464
4-(2-chloroethyl)-N-pentylaniline
CID 65023933

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-N-[4-[4-(ethylamino)anilino]butyl]benzene-1,4-diamine?
The IUPAC name of 1-N-ethyl-4-N-[4-[4-(ethylamino)anilino]butyl]benzene-1,4-diamine (CID 18622915) is 1-N-ethyl-4-N-[4-[4-(ethylamino)anilino]butyl]benzene-1,4-diamine.
What is the SMILES notation for 1-N-ethyl-4-N-[4-[4-(ethylamino)anilino]butyl]benzene-1,4-diamine?
The canonical SMILES for 1-N-ethyl-4-N-[4-[4-(ethylamino)anilino]butyl]benzene-1,4-diamine is CCNc1ccc(NCCCCNc2ccc(NCC)cc2)cc1.
What is the InChIKey of 1-N-ethyl-4-N-[4-[4-(ethylamino)anilino]butyl]benzene-1,4-diamine?
The InChIKey is IYCLYQCIVFUNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4/c1-3-21-17-7-11-19(12-8-17)23-15-5-6-16-24-20-13-9-18(10-14-20)22-4-2/h7-14,21-24H,3-6,15-16H2,1-2H3.
What are the key properties of 1-N-ethyl-4-N-[4-[4-(ethylamino)anilino]butyl]benzene-1,4-diamine?
1-N-ethyl-4-N-[4-[4-(ethylamino)anilino]butyl]benzene-1,4-diamine has a molecular weight of 326.49 g/mol, XLogP of 4.85, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-N-[4-[4-(ethylamino)anilino]butyl]benzene-1,4-diamine is sourced from PubChem (CID 18622915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).